N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine

C23H19F2N3 — CID 5496989

IUPACN-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine
SMILESC[C@H](Nc1ncnc2cc(F)c(F)cc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1
InChIKeyWVGZKPGUHOZIJQ-HNNXBMFYSA-N
MW375.42 g/mol
LogP5.54
Rot. Bonds5

About N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine

N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine (PubChem CID 5496989) has the molecular formula C23H19F2N3 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine
PubChem CID5496989
Molecular FormulaC23H19F2N3
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine
SMILESC[C@H](Nc1ncnc2cc(F)c(F)cc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1
InChIKeyWVGZKPGUHOZIJQ-HNNXBMFYSA-N
XLogP5.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine with MolForge

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Related Compounds

3-[(1S)-1-[(6,7-difluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 99812358
N-(3-amino-3-oxopropyl)-2-[(6,7-difluoroquinazolin-4-yl)amino]-3-phenylpropanamide
CID 71908170
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
CID 18788999
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
3-[(1R)-1-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 99812367
2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide
CID 86920499
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine
CID 99802726
6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 164556375
N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
CID 159200740
4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine
CID 65337213

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine?
The IUPAC name of N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine (CID 5496989) is N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine.
What is the SMILES notation for N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine?
The canonical SMILES for N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine is C[C@H](Nc1ncnc2cc(F)c(F)cc12)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine?
The InChIKey is WVGZKPGUHOZIJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1.
What are the key properties of N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine?
N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine has a molecular weight of 375.42 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine is sourced from PubChem (CID 5496989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).